6-Hydroxyflavanone

HCID 2734580

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Grundinformationen

CAS: 4250-77-5
Standard-SMILES: O=C1CC(c2ccccc2)Oc2ccc(O)cc21
InChIKey: XYHWPQUEOOBIOW-UHFFFAOYSA-N
Summenformel: C15H12O3
Durchschnittliche Molmasse: 240,25 g/mol
Monoisotopische Masse: 240,07864424

Überblick

6-hydroxyflavanone is a monohydroxyflavanone that is flavanone substituted by a hydroxy group at position 6. It has a role as a fungal xenobiotic metabolite.

Namen und Bezeichner

Bevorzugter Name: 6-Hydroxyflavanone
IUPAC: 6-hydroxy-2-phenyl-2,3-dihydrochromen-4-one
Englischer Name: 6-HYDROXYFLAVANONE
Summenformel: C15H12O3
Molmasse: 240.25

Namen und Synonyme

6-Hydroxyflavanone4250-77-56-hydroxy-2-phenylchroman-4-one6-hydroxy-2-phenyl-2,3-dihydro-4H-chromen-4-oneFlavanone, 6-hydroxy-4H-1-Benzopyran-4-one, 2,3-dihydro-6-hydroxy-2-phenyl-1F174812MPDTXSID1022429CHEBI:34471RefChem:543429(+-)-6-HydroxyflavanoneDTXCID202429

Weitere Namen anzeigen

6'-HYDROXYFLAVANONE6-OH FlavanoneHYDROXYFLAVANONE, 6-6-Hydroxyflavanone>6-Hydroxyflavanone 99%6-Hydroxyflavanone,98+%HYDROXYFLAVANONE, 6-(RG)6-Hydroxyflavanone, ≥ 98.0%

624-472-8(+/-)-6-Hydroxyflavanone6-hydroxy-2-phenyl-2,3-dihydrochromen-4-oneMFCD00017485UNII-1F174812MP6-hydroxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one6-hydroxy-2-phenyl-chroman-4-oneCHEMBL195033

Datenbank-Bezeichner

CAS: 4250-77-5
PubChem CID: 2734580
DTXSID: DTXSID1022429
ChEMBL: CHEMBL195033
ChEBI: CHEBI:34471
UNII: 1F174812MP
EC Number: 624-472-8
Nikkaji: J285.121K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,7
Polarare Oberfläche (TPSA): 46,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 18
Formalladung: 0
Komplexität: 309

Physikochemische Eigenschaften

Schmelzpunkt: 220 · 220-222 °C (dec.) (lit.)
Siedepunkt: 464.3 · 464.3±45.0 °C(Predicted)
Dichte: 1.288 · 1.288±0.06 g/cm3(Predicted)
pka: 9.53 · 9.53±0.40(Predicted)
Aggregatzustand: powder to crystal
Farbe: White to Orange to Green
BRN: 87354 · 87354
InChI: 1S/C15H12O3/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-8,15-16H,9H2
InChIKey: XYHWPQUEOOBIOW-UHFFFAOYSA-N
SMILES: Oc1ccc2OC(CC(=O)c2c1)c3ccccc3
LogP: 2.955 · 2.955 (est)
CAS Datenbank: 4250 · 4250-77-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29329900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden6-Hydroxyflavanone (6-HF) has been used for the enantiomeric separation of flavonoids using polysaccharide-based chiral stationary phases by nano-liquid chromatography (nano-LC). Racemic 6-HF may be used in the synthesis of 6-propionoxy-flavanone (6-PF). 6-HF may be employed as synthetic flavone to investigate the mechanism of tumor necrosis factor-related apoptosis-inducing ligand (TRAIL) induced cytotoxic and apoptotic effects in HeLa cancer cells.